2-[3-(4-chloranyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]ethanal

Systemtic Name: 2-[3-(4-chloranyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]ethanal Openeye Name: 2-[3-(4-chloro-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]acetaldehyde CAS Name: 2-[3-(4-chloro-3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetaldehyde IUPAC Name: 2-[3-(4-chloro-3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetaldehyde Traditional Name: 2-[3-(4-chloro-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]acetaldehyde Formula: C10H7ClN4O3 MolecularWeight: 266.64058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=NNC(=N2)CC=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=NNC(=N2)CC=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C10H7ClN4O3/c11-7-2-1-6(5-8(7)15(17)18)10-12-9(3-4-16)13-14-10/h1-2,4-5H,3H2,(H,12,13,14)